SCHEMBL7005455

SCHEMBL7005455

CCOC(=O)c1cc2c(OCc3ccc(Cl)cc3)cccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.59
ALOX15 P16050 2/20 0.52
ALOX5 P09917 6/20 0.48
MMP2 P08253 2/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
RHEB Q15382 1/20 0.46
ATM Q13315 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL700753 0.90 SRD5A2 (0.73) SRD5A2ALOX5ATMALDH1A1HPGD
SCHEMBL7004252 0.88 SRD5A2 (0.58) SRD5A2MMP2MMP1MMP9MMP12
SCHEMBL7006504 0.86 SRD5A2 (0.56) SRD5A2ALOX5MMP1MMP12ATM
SCHEMBL914178 0.83 SRD5A2 (0.54) SRD5A2ALOX15MMP2ATMALDH1A1
SCHEMBL15099347 0.80 KDM4E (0.49) SRD5A2ALOX15MMP2MMP1MMP9
SCHEMBL699482 0.80 FLT3 (0.60) ATMALDH1A1HPGDKDM4ERAB9A
SCHEMBL914490 0.79 KDM4E (0.54) SRD5A2ALOX15MMP2ATMALDH1A1
SCHEMBL916058 0.79 SRD5A2 (0.49) SRD5A2ALOX15ATMALDH1A1HPGD
SCHEMBL8555912 0.78 SRD5A2 (0.47) SRD5A2ALOX15ALOX5MMP2ATM
SCHEMBL4044123 0.78 CDK1 (0.57) ALOX15ALOX5MMP2ATMALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200439-B1 1,2-DIHYDRO-1-OXO-PARAZINO(1,2-A) INDOLE DERIVATIVES NOVUSPHARMA SPA (IT) 2003-06-25 EP disclosed